1,4,4-Trimethyl-3-pyrazolidinone
TL;DR: 1,4,4-Trimethyl-3-pyrazolidinone (CAS 500690-22-2) is a chemical compound with molecular formula C6H12N2O and molecular weight 128.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,4-trimethylpyrazolidin-3-one
Also Known As: 1,4,4-trimethylpyrazolidin-3-one, 1,4,4-Trimethyl-3-pyrazolidinone, 3-Pyrazolidinone,1,4,4-trimethyl-(9CI), 3-Pyrazolidinone, 1,4,4-trimethyl- (9CI), 834-404-0
| Molecular Formula | C6H12N2O |
|---|---|
| Molecular Weight | 128.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 32.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.09496 |
| Heavy Atoms | 9 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 500690-22-2 |
|---|---|
| SMILES | CC1(CN(NC1=O)C)C |
| InChIKey | FVVIPBGQIIHCDP-UHFFFAOYSA-N |
Product Overview
1,4,4-Trimethyl-3-pyrazolidinone (CAS 500690-22-2), with molecular formula C6H12N2O and molecular weight 128.09 g/mol. IUPAC: 1,4,4-trimethylpyrazolidin-3-one.
Chemical Property Profile of 1,4,4-Trimethyl-3-pyrazolidinone
Property Insights of 1,4,4-Trimethyl-3-pyrazolidinone
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4,4-Trimethyl-3-pyrazolidinone. With a topological polar surface area (TPSA) of 32.3 Ų, 1,4,4-Trimethyl-3-pyrazolidinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4,4-Trimethyl-3-pyrazolidinone has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,4,4-Trimethyl-3-pyrazolidinone?
The CAS number of 1,4,4-Trimethyl-3-pyrazolidinone is 500690-22-2.
What is the molecular formula of 1,4,4-Trimethyl-3-pyrazolidinone?
The molecular formula of 1,4,4-Trimethyl-3-pyrazolidinone is C6H12N2O.
What is the molecular weight of 1,4,4-Trimethyl-3-pyrazolidinone?
The molecular weight of 1,4,4-Trimethyl-3-pyrazolidinone is 128.09 g/mol.
Where can I buy 1,4,4-Trimethyl-3-pyrazolidinone?
You can request a quote for 1,4,4-Trimethyl-3-pyrazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,4-Trimethyl-3-pyrazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 1,4,4-Trimethyl-3-pyrazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.